1.0 2020-03-07 08:44:23 UTC 2020-04-22 18:08:38 UTC BMDB0084848 BMDB84848 TG(15:0/a-25:0/22:0)[rac] 1-pentadecanoyl-2-anteisopentacosanoyl-3-docosanoyl-glycerol TG(15:0/a-25:0/22:0) TAG(62:0) Triacylglycerol TG(62:0) Triglyceride TG(15:0/a-25:0/22:0)[rac] TAG(15:0/a-25:0/22:0) 1-pentadecanoyl-2-anteisopentacosanoyl-3-behenoyl-glycerol Tracylglycerol(15:0/a-25:0/22:0) Tracylglycerol(62:0) C65H126O6 1003.717 1002.955441777 (2S)-1-(docosanoyloxy)-3-(pentadecanoyloxy)propan-2-yl 22-methyltetracosanoate (2S)-1-(docosanoyloxy)-3-(pentadecanoyloxy)propan-2-yl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C65H126O6/c1-5-8-10-12-14-16-18-20-21-22-23-27-30-33-37-41-45-49-53-57-64(67)70-60-62(59-69-63(66)56-52-48-44-40-36-19-17-15-13-11-9-6-2)71-65(68)58-54-50-46-42-38-34-31-28-25-24-26-29-32-35-39-43-47-51-55-61(4)7-3/h61-62H,5-60H2,1-4H3/t61?,62-/m0/s1 GWMZKBUAKNBULW-CTAQDZMASA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.60 ALOGPS logs -7.95 ALOGPS logp 24.99 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(docosanoyloxy)-3-(pentadecanoyloxy)propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 1003.717 ChemAxon mono_mass 1002.955441777 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C65H126O6 ChemAxon inchi InChI=1S/C65H126O6/c1-5-8-10-12-14-16-18-20-21-22-23-27-30-33-37-41-45-49-53-57-64(67)70-60-62(59-69-63(66)56-52-48-44-40-36-19-17-15-13-11-9-6-2)71-65(68)58-54-50-46-42-38-34-31-28-25-24-26-29-32-35-39-43-47-51-55-61(4)7-3/h61-62H,5-60H2,1-4H3/t61?,62-/m0/s1 ChemAxon inchikey GWMZKBUAKNBULW-CTAQDZMASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 305.65 ChemAxon polarizability 138.82 ChemAxon rotatable_bond_count 63 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 669442 Specdb::MsMs 669443 Specdb::MsMs 669444 Specdb::MsMs 2420304 Specdb::MsMs 2420305 Specdb::MsMs 2420306 Specdb::MsMs 2761531 Specdb::MsMs 2761532 Specdb::MsMs 2761533 Specdb::MsMs 2797385 Specdb::MsMs 2797386 Specdb::MsMs 2797387 Specdb::MsMs 2882069 Specdb::MsMs 2882070 Specdb::MsMs 2882071 Specdb::MsMs 2950191 Specdb::MsMs 2950192 Specdb::MsMs 2950193 FDB075285 74867399 131811612